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53662-98-9

53662-98-9 structural image
Product Name: DEHYDROBRUCEANTIN
Formula: C28H34O11
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COMPUTED DESCRIPTORS

Molecular Weight 546.6 g/mol
XLogP3 2.3
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 11
Rotatable Bond Count 6
Exact Mass 546.21011190 g/mol
Monoisotopic Mass 546.21011190 g/mol
Topological Polar Surface Area 166 Ų
Heavy Atom Count 39
Formal Charge 0
Complexity 1260
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 9
Defined Bond Stereocenter Count 1
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes